N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide

C20H23ClF2N4O4 — CID 162566089

IUPACN-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)c2cnc(OCC(F)F)c(Cl)c2)cc(NC(=O)C(C)(C)O)n1
InChIInChI=1S/C20H23ClF2N4O4/c1-10-5-12(7-16(25-10)27-19(29)20(3,4)30)17(28)26-11(2)13-6-14(21)18(24-8-13)31-9-15(22)23/h5-8,11,15,30H,9H2,1-4H3,(H,26,28)(H,25,27,29)
InChIKeyRCJAWALINPSCIZ-UHFFFAOYSA-N
MW456.88 g/mol
LogP3.28
Rot. Bonds8

About N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide

N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide (PubChem CID 162566089) has the molecular formula C20H23ClF2N4O4 and a molecular weight of 456.88 g/mol. Its IUPAC name is N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide
PubChem CID162566089
Molecular FormulaC20H23ClF2N4O4
Molecular Weight456.88 g/mol
Exact Mass456.14
IUPAC NameN-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)c2cnc(OCC(F)F)c(Cl)c2)cc(NC(=O)C(C)(C)O)n1
InChIInChI=1S/C20H23ClF2N4O4/c1-10-5-12(7-16(25-10)27-19(29)20(3,4)30)17(28)26-11(2)13-6-14(21)18(24-8-13)31-9-15(22)23/h5-8,11,15,30H,9H2,1-4H3,(H,26,28)(H,25,27,29)
InChIKeyRCJAWALINPSCIZ-UHFFFAOYSA-N
XLogP3.28
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.88
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-[(2-cyclopropylacetyl)amino]-6-methylpyridine-4-carboxamide
CID 87426752
N-[1-[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 87426798
N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-(cyclopropanecarbonylamino)-6-methylpyridine-4-carboxamide
CID 67510855
N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 87426669
N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 87426753
N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-2-methyl-6-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
CID 158102449
N-[1-[6-(2,2-difluoropropoxy)-5-fluoro-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
CID 162565983
N-[1-[6-(2,2-difluoroethoxy)-5-methoxy-3-pyridinyl]ethyl]-2-methyl-6-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
CID 159797383
2-methyl-N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-6-(propanoylamino)pyridine-4-carboxamide
CID 67508940
2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-6-methylpyridine-4-carboxamide
CID 148558699
N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
CID 67509480
2-acetamido-6-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67511304

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide?
The IUPAC name of N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide (CID 162566089) is N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide?
The canonical SMILES for N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide is Cc1cc(C(=O)NC(C)c2cnc(OCC(F)F)c(Cl)c2)cc(NC(=O)C(C)(C)O)n1.
What is the InChIKey of N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide?
The InChIKey is RCJAWALINPSCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClF2N4O4/c1-10-5-12(7-16(25-10)27-19(29)20(3,4)30)17(28)26-11(2)13-6-14(21)18(24-8-13)31-9-15(22)23/h5-8,11,15,30H,9H2,1-4H3,(H,26,28)(H,25,27,29).
What are the key properties of N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide?
N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide has a molecular weight of 456.88 g/mol, XLogP of 3.28, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 162566089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).